TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 482.643 | Formula: C21H38N8O3S
H donors: 6 H acceptors: 5 LogP: -1.22 Rotable bonds: 15
Rule of 5 violations (Lipinski): 2
SMILES: NCCCNCCCCCC(SC[C@H]1OC([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CCN
InChi: 1S/C21H38N8O3S/c22-7-4-10-25-9-3-1-2-5-14(6-8-23)33-11-15-17(30)18(31)21(32-15)29-13-28-16-19(24)26-12-27-20(16)29/h12-15,17-18,21,25,30-31H,1-11,22-23H2,(H2,24,26,27)/t14?,15-,17-,18-,21?/m1/s1
InChiKey: IYEWZPHRHXRMCW-RXHHNXKZSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	spermidine synthase	Starlite/ChEMBL	References
Rattus norvegicus	Spermidine synthase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	spermidine synthase	Get druggable targets OG5_127074	All targets in OG5_127074
Plasmodium falciparum	spermidine synthase	Get druggable targets OG5_127074	All targets in OG5_127074
Mycobacterium tuberculosis	Probable spermidine synthase SpeE (putrescine aminopropyltransferase) (aminopropyltransferase) (SPDSY)	Get druggable targets OG5_127074	All targets in OG5_127074
Leishmania infantum	spermidine synthase, putative	Get druggable targets OG5_127074	All targets in OG5_127074
Trypanosoma cruzi	spermidine synthase, putative	Get druggable targets OG5_127074	All targets in OG5_127074
Leishmania major	spermidine synthase	Get druggable targets OG5_127074	All targets in OG5_127074
Trypanosoma brucei gambiense	spermidine synthase, putative	Get druggable targets OG5_127074	All targets in OG5_127074
Leishmania mexicana	spermidine synthase, putative	Get druggable targets OG5_127074	All targets in OG5_127074
Plasmodium berghei	spermidine synthase, putative	Get druggable targets OG5_127074	All targets in OG5_127074
Plasmodium yoelii	spermidine synthase-related	Get druggable targets OG5_127074	All targets in OG5_127074
Echinococcus granulosus	spermidine synthase	Get druggable targets OG5_127074	All targets in OG5_127074
Trypanosoma cruzi	spermidine synthase, putative	Get druggable targets OG5_127074	All targets in OG5_127074
Plasmodium knowlesi	spermidine synthase, putative	Get druggable targets OG5_127074	All targets in OG5_127074
Plasmodium vivax	spermidine synthase, putative	Get druggable targets OG5_127074	All targets in OG5_127074
Loa Loa (eye worm)	spermidine synthase	Get druggable targets OG5_127074	All targets in OG5_127074
Trypanosoma cruzi	spermidine synthase, putative	Get druggable targets OG5_127074	All targets in OG5_127074
Trypanosoma congolense	spermidine synthase	Get druggable targets OG5_127074	All targets in OG5_127074
Echinococcus multilocularis	spermidine synthase	Get druggable targets OG5_127074	All targets in OG5_127074
Trypanosoma brucei	spermidine synthase	Get druggable targets OG5_127074	All targets in OG5_127074
Candida albicans	spermidine synthase	Get druggable targets OG5_127074	All targets in OG5_127074
Trypanosoma cruzi	spermidine synthase, putative	Get druggable targets OG5_127074	All targets in OG5_127074
Leishmania donovani	spermidine synthase, putative	Get druggable targets OG5_127074	All targets in OG5_127074
Mycobacterium ulcerans	spermidine synthase	Get druggable targets OG5_127074	All targets in OG5_127074
Brugia malayi	Spermidine synthase	Get druggable targets OG5_127074	All targets in OG5_127074
Leishmania braziliensis	spermidine synthase, putative	Get druggable targets OG5_127074	All targets in OG5_127074

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Candida albicans	spermine synthase	Spermidine synthase	302 aa	289 aa	45.3 %
Candida albicans	spermine synthase	Spermidine synthase	302 aa	289 aa	45.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0081	0.0113
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0094	0.0146
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0148	0.1809	0.4295
Trichomonas vaginalis	esterase, putative	0.0118	0.1414	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1414	0.233
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0148	0.1809	0.4295
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0081	0.0125
Echinococcus multilocularis	inhibitor of apoptosis protein	0.0324	0.4181	0.6903
Mycobacterium leprae	Probable lipase LipE	0.0118	0.1414	0.5
Schistosoma mansoni	hypothetical protein	0.0106	0.1243	0.2934
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0302	0.1662
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0081	0.0134
Brugia malayi	beta-lactamase family protein	0.0118	0.1414	0.2293
Trypanosoma cruzi	spermidine synthase, putative	0.0463	0.6051	1
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0106	0.1243	0.2037
Leishmania major	spermidine synthase	0.0463	0.6051	1
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1888	0.3114
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.0219	0.0307
Brugia malayi	beta-lactamase family protein	0.0118	0.1414	0.2293
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0212	0.0341
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1414	0.233
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1414	0.233
Schistosoma mansoni	cpg binding protein	0.0028	0.0203	0.0433
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0081	0.0113
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0118	0.1414	0.3345
Brugia malayi	Cytochrome P450 family protein	0.0048	0.046	0.0708
Trypanosoma brucei	hypothetical protein, conserved	0.0118	0.1414	0.2336
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0141	0.0213
Echinococcus granulosus	apoptotic protease activating factor 1	0.0106	0.1243	0.2037
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0162	0.1992	0.3279
Onchocerca volvulus		0.0106	0.1243	0.2614
Schistosoma mansoni	hypothetical protein	0.0199	0.2497	0.595
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0081	0.0078
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0302	0.0463
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0081	0.0134
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0118	0.1414	0.2961
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0081	0.0096
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0302	0.1662
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0036	0.0302	0.1662
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0094	0.0156
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0141	0.0213
Echinococcus granulosus	lysosomal alpha glucosidase	0.0162	0.1992	0.3279
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0118	0.1414	0.232
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0081	0.0134
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0094	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0575	0.0942
Mycobacterium tuberculosis	Conserved protein	0.0118	0.1414	0.1344
Trypanosoma brucei	spermidine synthase	0.0463	0.6051	1
Echinococcus multilocularis	baculoviral IAP repeat containing protein	0.0324	0.4181	0.6903
Mycobacterium leprae	conserved hypothetical protein	0.0118	0.1414	0.5
Schistosoma mansoni	intermediate filament proteins	0.003	0.0219	0.0471
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0046	0.0056
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0081	0.0078
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0302	0.1662
Trypanosoma brucei	glucosidase, putative	0.0036	0.0302	0.05
Mycobacterium ulcerans	esterase/lipase LipP	0.0118	0.1414	0.2961
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.0046	0.0056
Onchocerca volvulus		0.0093	0.1077	0.2196
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0081	0.0139
Echinococcus granulosus	neutral alpha glucosidase AB	0.0036	0.0302	0.048
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0203	0.0327
Leishmania major	hypothetical protein, conserved	0.0118	0.1414	0.2307
Loa Loa (eye worm)	intermediate filament protein	0.003	0.0219	0.0353
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0302	0.1662
Echinococcus granulosus	baculoviral IAP repeat containing protein	0.0324	0.4181	0.6903
Schistosoma mansoni	alpha glucosidase	0.0036	0.0302	0.0672
Brugia malayi	beta-lactamase	0.0118	0.1414	0.2293
Trypanosoma cruzi	spermidine synthase, putative	0.0463	0.6051	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0017	0.0055	0.007
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0094	0.0606
Trypanosoma brucei	ISWI complex protein	0.0015	0.0023	0.0038
Brugia malayi	Bromodomain containing protein	0.0076	0.0836	0.1334
Brugia malayi	hypothetical protein	0.0036	0.0307	0.0455
Brugia malayi	Bromodomain containing protein	0.0038	0.0328	0.0489
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0324	0.4181	0.6892
Echinococcus granulosus	beta LACTamase domain containing family member	0.0118	0.1414	0.232
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0148	0.1809	0.2975
Mycobacterium ulcerans	beta-lactamase	0.0118	0.1414	0.2961
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0081	0.0113
Loa Loa (eye worm)	hypothetical protein	0.016	0.1977	0.3261
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0081	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1414	0.233
Mycobacterium tuberculosis	Probable lipase LipD	0.0118	0.1414	0.1344
Mycobacterium tuberculosis	Probable esterase LipL	0.0118	0.1414	0.1344
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1243	0.2047
Schistosoma mansoni	ap endonuclease	0.002	0.0094	0.0171
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0094	0.003
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0081	0.0134
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0094	0.0014
Echinococcus multilocularis	lamin dm0	0.003	0.0219	0.0341
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0081	0.0134
Brugia malayi	hypothetical protein	0.016	0.1977	0.3229
Loa Loa (eye worm)	hypothetical protein	0.0324	0.4181	0.6907
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0081	0.0134
Brugia malayi	hypothetical protein	0.0154	0.1888	0.3082
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0025	0.0159	0.0242
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0036	0.0302	0.0446
Echinococcus granulosus	lamin	0.003	0.0219	0.0341
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0081	0.0096
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.0055	0.0081
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0118	0.1414	0.233
Brugia malayi	hypothetical protein	0.0106	0.1243	0.2009
Schistosoma mansoni	alpha-glucosidase	0.0139	0.169	0.4009
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0094	0.0118
Echinococcus granulosus	intermediate filament protein	0.003	0.0219	0.0341
Brugia malayi	Cell death protein 3 precursor	0.0106	0.1243	0.2009
Onchocerca volvulus	Cell death protein 3 homolog	0.0106	0.1243	0.2614
Plasmodium falciparum	spermidine synthase	0.0463	0.6051	1
Echinococcus granulosus	inhibitor of apoptosis protein	0.0324	0.4181	0.6903
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0118	0.1414	0.3345
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0081	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0055	0.0082
Echinococcus granulosus	dna polymerase eta	0.0019	0.0081	0.0113
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0094	0.5
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1243	0.2047
Loa Loa (eye worm)	spermidine synthase	0.0463	0.6051	1
Trypanosoma cruzi	spermidine synthase, putative	0.0463	0.6051	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0056	0.0575	0.0915
Schistosoma mansoni	caspase-7 (C14 family)	0.0106	0.1243	0.2934
Trichomonas vaginalis	D-aminoacylase, putative	0.0118	0.1414	1
Onchocerca volvulus		0.003	0.0219	0.0039
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0302	0.1662
Schistosoma mansoni	bromodomain containing protein	0.0064	0.0681	0.1582
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0148	0.1809	0.2975
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0017	0.0055	0.007
Trichomonas vaginalis	D-aminoacylase, putative	0.0118	0.1414	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0118	0.1414	0.2307
Echinococcus multilocularis	caspase 2	0.0106	0.1243	0.2037
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0141	0.0283
Schistosoma mansoni	zinc finger protein	0.0021	0.0102	0.0189
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0162	0.1992	0.3255
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0094	0.0101
Echinococcus multilocularis	lamin	0.003	0.0219	0.0341
Plasmodium vivax	ataxin-2 like protein, putative	0.0056	0.0575	0.0807
Trypanosoma brucei	PAB1-binding protein , putative	0.0056	0.0575	0.095
Echinococcus granulosus	cpg binding protein	0.0032	0.025	0.0394
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0302	1
Schistosoma mansoni	lamin	0.003	0.0219	0.0471
Trypanosoma cruzi	spermidine synthase, putative	0.0463	0.6051	1
Brugia malayi	MH2 domain containing protein	0.0119	0.1424	0.231
Mycobacterium ulcerans	spermidine synthase	0.0354	0.4583	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0081	0.0134
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0162	0.1992	0.3287
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0302	0.1662
Brugia malayi	Spermidine synthase	0.0463	0.6051	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0055	0.0076
Onchocerca volvulus		0.0324	0.4181	1
Echinococcus granulosus	geminin	0.0199	0.2497	0.4115
Trichomonas vaginalis	penicillin-binding protein, putative	0.0118	0.1414	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1414	0.233
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0302	0.0463
Brugia malayi	PHD-finger family protein	0.0026	0.0172	0.023
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0148	0.1809	0.4295
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0148	0.1809	0.2975
Echinococcus multilocularis	cpg binding protein	0.0032	0.025	0.0394
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0081	0.0096
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0118	0.1414	0.1344
Leishmania major	alpha glucosidase II subunit, putative	0.0036	0.0302	0.0463
Trypanosoma cruzi	hypothetical protein, conserved	0.0118	0.1414	0.2307
Plasmodium vivax	spermidine synthase, putative	0.0463	0.6051	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.0632	0.1466
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0081	0.0096
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0302	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0094	0.0147
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0118	0.1414	0.2293
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0118	0.1414	0.1344
Onchocerca volvulus		0.0154	0.1888	0.4236
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0025	0.0159	0.0242
Trichomonas vaginalis	D-aminoacylase, putative	0.0118	0.1414	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0081	0.0096
Mycobacterium tuberculosis	Conserved protein	0.0118	0.1414	0.1344
Echinococcus multilocularis	zinc finger protein	0.0021	0.0102	0.0147
Loa Loa (eye worm)	hypothetical protein	0.003	0.0219	0.0353
Schistosoma mansoni	alpha-glucosidase	0.0139	0.169	0.4009
Schistosoma mansoni	inhibitor of apoptosis (iap) domain family member	0.0324	0.4181	1
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0203	0.0282
Leishmania major	hypothetical protein, conserved	0.0056	0.0575	0.0915
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0324	0.4181	0.6892
Schistosoma mansoni	hypothetical protein	0.0025	0.0159	0.0326
Loa Loa (eye worm)	hypothetical protein	0.016	0.1977	0.3261
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0407	0.0665
Schistosoma mansoni	hypothetical protein	0.0199	0.2497	0.595
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.006	0.0633	0.1028
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0036	0.0302	0.048
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0081	0.0134
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.0219	0.0353
Schistosoma mansoni	cpg binding protein	0.0032	0.025	0.0547
Leishmania major	DNA polymerase eta, putative	0.0019	0.0081	0.0096
Loa Loa (eye worm)	hypothetical protein	0.004	0.036	0.0587
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1414	0.233
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0081	0.0134
Onchocerca volvulus		0.016	0.1977	0.4459
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0081	0.0134
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0055	0.0076
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0036	0.0302	0.1662
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.1424	0.2346
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0329	0.0535
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0297	0.047
Echinococcus granulosus	zinc finger protein	0.0021	0.0102	0.0147
Brugia malayi	hypothetical protein	0.0056	0.0575	0.0899
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0094	0.0118
Toxoplasma gondii	ABC1 family protein	0.0118	0.1414	1
Schistosoma mansoni	cpg binding protein	0.0032	0.025	0.0547
Loa Loa (eye worm)	cytochrome P450 family protein	0.0048	0.046	0.0752
Mycobacterium tuberculosis	Conserved protein	0.0118	0.1414	0.1344
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.0046	0.0056
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0094	0.0135
Echinococcus multilocularis	geminin	0.0199	0.2497	0.4115
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0094	0.0101
Mycobacterium tuberculosis	Probable hydrolase	0.0118	0.1414	0.1344
Echinococcus granulosus	lamin dm0	0.003	0.0219	0.0341
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0013	0.0012
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0046	0.0056
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0297	0.047
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0036	0.0302	0.1577
Plasmodium falciparum	ataxin-2 like protein, putative	0.0056	0.0575	0.0807
Mycobacterium tuberculosis	Probable lipase LipE	0.0118	0.1414	0.1344
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0094	0.01
Trypanosoma cruzi	PAB1-binding protein , putative	0.0056	0.0575	0.0915
Schistosoma mansoni	hypothetical protein	0.002	0.0094	0.017
Mycobacterium ulcerans	hypothetical protein	0.0118	0.1414	0.2961
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0036	0.0302	0.0491
Onchocerca volvulus		0.0118	0.1414	0.3043
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0118	0.1414	0.1344
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0081	0.0134
Onchocerca volvulus	Deterin homolog	0.0324	0.4181	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0081	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0324	0.4181	0.6907
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0094	0.0118
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0577	0.3659
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0081	0.0134
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0081	0.0113
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.006	0.0633	0.1028
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0081	0.0096
Trypanosoma brucei	unspecified product	0.0019	0.0081	0.0134
Brugia malayi	hypothetical protein	0.016	0.1977	0.3229
Trichomonas vaginalis	penicillin-binding protein, putative	0.0118	0.1414	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0081	0.0134
Mycobacterium ulcerans	lipase LipD	0.0118	0.1414	0.2961
Onchocerca volvulus		0.0118	0.1414	0.3043
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0162	0.1992	0.3279
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0081	0.0113
Schistosoma mansoni	lamin	0.003	0.0219	0.0471
Loa Loa (eye worm)	beta-lactamase	0.0118	0.1414	0.233
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0081	0.0096
Onchocerca volvulus		0.0118	0.1414	0.3043
Plasmodium vivax	hypothetical protein, conserved	0.0118	0.1414	0.2215
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0148	0.1809	0.2975
Brugia malayi	intermediate filament protein	0.003	0.0219	0.0307
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0094	0.5
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0302	0.1662
Mycobacterium tuberculosis	Probable spermidine synthase SpeE (putrescine aminopropyltransferase) (aminopropyltransferase) (SPDSY)	0.0354	0.4583	0.4539
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0148	0.1809	0.295
Echinococcus multilocularis	spermidine synthase	0.0463	0.6051	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0056	0.0575	0.3642
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0094	0.0135
Echinococcus granulosus	spermidine synthase	0.0463	0.6051	1
Schistosoma mansoni	ap endonuclease	0.002	0.0094	0.0171
Plasmodium falciparum	ataxin-2 like protein, putative	0.0056	0.0575	0.0807
Schistosoma mansoni	inhibitor of apoptosis protein	0.0324	0.4181	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.1424	0.2346
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0034	0.0047
Loa Loa (eye worm)	hypothetical protein	0.016	0.1977	0.3261
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0148	0.1809	0.2983
Loa Loa (eye worm)	hypothetical protein	0.007	0.0758	0.1245
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0081	0.0134
Onchocerca volvulus		0.003	0.0219	0.0039
Echinococcus multilocularis	musashi	0.003	0.0219	0.0341
Schistosoma mansoni	hypothetical protein	0.0324	0.4181	1
Echinococcus granulosus	caspase 2	0.0106	0.1243	0.2037

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 20 nM	Inhibition of spermine synthase activity in rat ventral prostrate was evaluated at 100 uM	ChEMBL.	2724300
IC50 (binding)	= 50 nM	Inhibition of Spermidine aminopropyltransferase(SAPT) in rat liver.	ChEMBL.	7629810
IC50 (binding)	> 10000 nM	Inhibition of Putrescine aminopropyltransferase(PAPT) in rat liver.	ChEMBL.	7629810
IC50 (binding)	> 13000 nM	Inhibition of spermidine synthase activity was evaluated	ChEMBL.	2724300

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL605227

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1133328